Molecule FYI-1005627

A

Molecule Summary:

ID: FYI-1005627
Names:
InChIKey: NIKHGUQULKYIGE-UHFFFAOYSA-N
SMILES: C=C3CC24CCC1C(C)(C(=O)O)CCCC1(C)C2CCC3C4

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005627 Edit

Molecule Structure InChIKey: NIKHGUQULKYIGE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C3CC24CCC1C(C)(C(=O)O)CCCC1(C)C2CCC3C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005627
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005627-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
    1.1673    1.0502    1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182    0.3506    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6183    0.5939    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994    0.1059   -1.1783 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7897    1.1525   -1.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    0.9722   -3.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4846   -0.3677   -3.7290 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7328   -0.5279   -5.2777 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.2047    1.4389   -5.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1682👍, 0💬